N-(3,5-ditert-butyl-4-hydroxyphenyl)iminopyridine-4-carboxamide

C20H25N3O2 — CID 2189542

IUPACN-(3,5-ditert-butyl-4-hydroxyphenyl)iminopyridine-4-carboxamide
SMILESCC(C)(C)c1cc(/N=N/C(=O)c2ccncc2)cc(C(C)(C)C)c1O
InChIInChI=1S/C20H25N3O2/c1-19(2,3)15-11-14(12-16(17(15)24)20(4,5)6)22-23-18(25)13-7-9-21-10-8-13/h7-12,24H,1-6H3/b23-22+
InChIKeySPSKQBOYSVUODS-GHVJWSGMSA-N
MW339.44 g/mol
LogP5.31
Rot. Bonds2

About N-(3,5-ditert-butyl-4-hydroxyphenyl)iminopyridine-4-carboxamide

N-(3,5-ditert-butyl-4-hydroxyphenyl)iminopyridine-4-carboxamide (PubChem CID 2189542) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(3,5-ditert-butyl-4-hydroxyphenyl)iminopyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-ditert-butyl-4-hydroxyphenyl)iminopyridine-4-carboxamide
PubChem CID2189542
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-(3,5-ditert-butyl-4-hydroxyphenyl)iminopyridine-4-carboxamide
SMILESCC(C)(C)c1cc(/N=N/C(=O)c2ccncc2)cc(C(C)(C)C)c1O
InChIInChI=1S/C20H25N3O2/c1-19(2,3)15-11-14(12-16(17(15)24)20(4,5)6)22-23-18(25)13-7-9-21-10-8-13/h7-12,24H,1-6H3/b23-22+
InChIKeySPSKQBOYSVUODS-GHVJWSGMSA-N
XLogP5.31
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.44
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze N-(3,5-ditert-butyl-4-hydroxyphenyl)iminopyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,5-ditert-butyl-4-hydroxyphenyl)iminopyridine-4-carboxamide?
The IUPAC name of N-(3,5-ditert-butyl-4-hydroxyphenyl)iminopyridine-4-carboxamide (CID 2189542) is N-(3,5-ditert-butyl-4-hydroxyphenyl)iminopyridine-4-carboxamide.
What is the SMILES notation for N-(3,5-ditert-butyl-4-hydroxyphenyl)iminopyridine-4-carboxamide?
The canonical SMILES for N-(3,5-ditert-butyl-4-hydroxyphenyl)iminopyridine-4-carboxamide is CC(C)(C)c1cc(/N=N/C(=O)c2ccncc2)cc(C(C)(C)C)c1O.
What is the InChIKey of N-(3,5-ditert-butyl-4-hydroxyphenyl)iminopyridine-4-carboxamide?
The InChIKey is SPSKQBOYSVUODS-GHVJWSGMSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-19(2,3)15-11-14(12-16(17(15)24)20(4,5)6)22-23-18(25)13-7-9-21-10-8-13/h7-12,24H,1-6H3/b23-22+.
What are the key properties of N-(3,5-ditert-butyl-4-hydroxyphenyl)iminopyridine-4-carboxamide?
N-(3,5-ditert-butyl-4-hydroxyphenyl)iminopyridine-4-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 5.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-ditert-butyl-4-hydroxyphenyl)iminopyridine-4-carboxamide is sourced from PubChem (CID 2189542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).